1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1351 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C20 H22 Cl N3 O6 S |
| Smiles: | Cc1ccc(CNC(C2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.7805 |
| logD: | 1.7219 |
| logSw: | -2.9535 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.896 |
| InChI Key: | YGRBWMCTDHUBCG-UHFFFAOYSA-N |